SpectraBase Spectrum ID |
IWWmKHlnYNs |
Name |
m-Anisic acid, oct-3-en-2-yl ester |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
262.156894565 u |
Formula |
C16H22O3 |
InChI |
InChI=1S/C16H22O3/c1-4-5-6-7-9-13(2)19-16(17)14-10-8-11-15(12-14)18-3/h7-13H,4-6H2,1-3H3/b9-7+ |
InChIKey |
ILFVQCDACZZNIV-VQHVLOKHSA-N |
Molecular Weight |
262.349 g/mol |
SMILES |
C(=O)(OC(\C=C\CCCC)C)C=1C=C(OC)C=CC1 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.979111 |